Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

NameCHEMBL3827583
Molecular formulaC20H25N5O3
IUPAC name1,3-diethyl-9-[2-(4-hydroxyphenyl)ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Molecular weight383.452
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.4
SynonymsBDBM50187590
Inchi KeyZHLYQXBGJXSGGA-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H25N5O3/c1-3-23-17-16(18(27)24(4-2)20(23)28)25-12-5-11-22(19(25)21-17)13-10-14-6-8-15(26)9-7-14/h6-9,26H,3-5,10-13H2,1-2H3
PubChem CID127043662
ChEMBLCHEMBL3827583
IUPHARN/A
BindingDB50187590
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
533602Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
533603Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
533596Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
533601Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
533597Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
533599Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
533598Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
533600Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

yangzhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218